SCHEMBL6513434

SCHEMBL6513434

CCOC(=O)C(Cc1ccc(Br)cc1)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.52
PPARG P37231 12/20 0.52
PPARD Q03181 7/20 0.52
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
MMP8 P22894 1/20 0.43
MEN1 O00255 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1750768 0.89 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL1750767 0.89 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL2554435 0.87 PPARA (0.52) PPARAPPARGPPARDMMP8MEN1
SCHEMBL3965096 0.85 PPARA (0.50) PPARAPPARGPPARDMMP8
SCHEMBL977514 0.85 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL977513 0.85 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6419166 0.85 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4075927 0.84 PPARA (0.49) PPARAPPARGPPARDLMNA
SCHEMBL2556064 0.84 PPARA (0.51) PPARAPPARGLMNAMAPTNPSR1
SCHEMBL1856323 0.84 PPARA (0.49) PPARAPPARGPPARDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed